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Target
Cholinesterase
Ligand
BDBM50092532
Substrate
n/a
Meas. Tech.
ChEMBL_1500862 (CHEMBL3588426)
IC50
420±n/a nM
Citation
 Nguyen, VT; To, DC; Tran, MH; Oh, SH; Kim, JA; Ali, MY; Woo, MH; Choi, JS; Min, BS Isolation of cholinesterase andß-secretase 1 inhibiting compounds from Lycopodiella cernua. Bioorg Med Chem 23:3126-34 (2015) [PubMed]  Article 
Target
Name:
Cholinesterase
Synonyms:
Acylcholine acylhydrolase | BCHE | Butyrylcholine esterase (BChE) | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | CHE1 | CHLE_HUMAN | Choline esterase II | Cholinesterases | Cholinesterases; ACHE & BCHE | Pseudocholinesterase
Type:
Homotetramer
Mol. Mass.:
68422.27
Organism:
Homo sapiens (Human)
Description:
P06276
Residue:
602
Sequence:
MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPGVSEFGKESILFHYTDWVDDQRPENYREALGDVVGDYNFICPALEFTKKFSEWGNNAFFYYFEHRSSKLPWPEWMGVMHGYEIEFVFGLPLERRDNYTKAEEILSRSIVKRWANFAKYGNPNETQNNSTSWPVFKSTEQKYLTLNTESTRIMTKLRAQQCRFWTSFFPKVLEMTGNIDEAEWEWKAGFHRWNNYMMDWKNQFNDYTSKKESCVGL
  
Inhibitor
Name:
BDBM50092532
Synonyms:
CHEMBL3586200
Type:
Small organic molecule
Emp. Form.:
C39H56O7
Mol. Mass.:
636.8577
SMILES:
[H][C@@]12CC=C3C[C@]4(C)CC[C@]5([H])[C@](C)(CC[C@H](OC(=O)CCc6ccc(O)cc6)[C@]5(C)C(O)=O)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CC[C@@H](O)[C@]2(C)CO |r,t:3|
Structure:
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